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ScientificNameLabel
Hex-2-enal
PHCD compound ID : 1504
Chemical Names :
Hex-2-enal
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: hex-2-enal , 2-hexenal
Smiles: CCC/C=C/C=O
InChi : InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChi Key : InChIKey=MBDOYVRWFFCFHM-SNAWJCMRSA-N
PubChem ID : 10460
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.116388
Hydrogen bond donor count : 0 Electric dipole moment : 4.195
XLogP : 1.85 VDW volume : 115.849676
Molecular weight : 98.073165 HOMO-LUMO gap : 9.804000
Herb list :
Refrences & Litretures:
  
162.      Journal:'Phytochemistry'      Year:'1992'      Volume:'31'      Page:'571'      DOI:''      Title:'VOLATILE COMPONENTS OF VIOLET LEAVES'
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